ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate

C19H25N3O2 — CID 23188887

IUPACethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)cc1N
InChIInChI=1S/C19H25N3O2/c1-5-24-19(23)22-18-7-6-15(10-17(18)20)21-11-16-13(3)8-12(2)9-14(16)4/h6-10,21H,5,11,20H2,1-4H3,(H,22,23)
InChIKeySCOOTUMXCXKEAD-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.37
Rot. Bonds5

About ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate

ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate (PubChem CID 23188887) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate
PubChem CID23188887
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nameethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)cc1N
InChIInChI=1S/C19H25N3O2/c1-5-24-19(23)22-18-7-6-15(10-17(18)20)21-11-16-13(3)8-12(2)9-14(16)4/h6-10,21H,5,11,20H2,1-4H3,(H,22,23)
InChIKeySCOOTUMXCXKEAD-UHFFFAOYSA-N
XLogP4.37
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate (CID 23188887) is ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)cc1N.
What is the InChIKey of ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate?
The InChIKey is SCOOTUMXCXKEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-5-24-19(23)22-18-7-6-15(10-17(18)20)21-11-16-13(3)8-12(2)9-14(16)4/h6-10,21H,5,11,20H2,1-4H3,(H,22,23).
What are the key properties of ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate?
ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate has a molecular weight of 327.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 23188887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).